Molecule

ID:11852

General Information
Structure
MolImage
Molecular Formula
C₄H₂BrF₅
Molecular Mass
224.954696
Exact Mass
223.92600316
Charge
0
InChI
InChI=1S/C4H2BrF5/c1-2(5)3(6,7)4(8,9)10/h1H2
InChIKey
AAYAPGNGKQASNS-UHFFFAOYSA-N
Canonic Smiles
BrC(=C)C(C(F)(F)F)(F)F
Isomeric Smiles
C(=C)(C(C(F)(F)F)(F)F)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.9599848
LogD (pH = 7.4)
2.9599848
Log P
2.9599848
Molar Refractivity
28.784
Polarizability
10.794263
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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